2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1-benzothiophen-3(2H)-one
2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 8008-7791 |
| Compound Name: | 2-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 420.4 |
| Molecular Formula: | C21 H12 N2 O6 S |
| Smiles: | C(=C1/C(c2ccccc2S1)=O)\c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9673 |
| logD: | 4.9673 |
| logSw: | -4.9222 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.696 |
| InChI Key: | CXAOGIXDVASSPK-UHFFFAOYSA-N |